[1]benzofuro[2,3-h]isoquinoline

C15H9NO — CID 67244689

IUPAC[1]benzofuro[2,3-h]isoquinoline
SMILESc1ccc2c(c1)oc1ccc3ccncc3c12
InChIInChI=1S/C15H9NO/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H
InChIKeyAETVPPZOZKUXKP-UHFFFAOYSA-N
MW219.24 g/mol
LogP4.13
Rot. Bonds

About [1]benzofuro[2,3-h]isoquinoline

[1]benzofuro[2,3-h]isoquinoline (PubChem CID 67244689) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is [1]benzofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name[1]benzofuro[2,3-h]isoquinoline
PubChem CID67244689
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name[1]benzofuro[2,3-h]isoquinoline
SMILESc1ccc2c(c1)oc1ccc3ccncc3c12
InChIInChI=1S/C15H9NO/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H
InChIKeyAETVPPZOZKUXKP-UHFFFAOYSA-N
XLogP4.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-h]isoquinoline?
The IUPAC name of [1]benzofuro[2,3-h]isoquinoline (CID 67244689) is [1]benzofuro[2,3-h]isoquinoline.
What is the SMILES notation for [1]benzofuro[2,3-h]isoquinoline?
The canonical SMILES for [1]benzofuro[2,3-h]isoquinoline is c1ccc2c(c1)oc1ccc3ccncc3c12.
What is the InChIKey of [1]benzofuro[2,3-h]isoquinoline?
The InChIKey is AETVPPZOZKUXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H.
What are the key properties of [1]benzofuro[2,3-h]isoquinoline?
[1]benzofuro[2,3-h]isoquinoline has a molecular weight of 219.24 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-h]isoquinoline is sourced from PubChem (CID 67244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).